LAMMPS (3 Nov 2022)
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task
# Si fcc phase

units           metal
boundary        p p p

atom_style      atomic
lattice         fcc 3.98
Lattice spacing in x,y,z = 3.98 3.98 3.98
region          box block 0 5 0 5 0 5
create_box              1 box
Created orthogonal box = (0 0 0) to (19.9 19.9 19.9)
  1 by 2 by 2 MPI processor grid
create_atoms    1 box
Created 500 atoms
  using lattice units in orthogonal box = (0 0 0) to (19.9 19.9 19.9)
  create_atoms CPU = 0.000 seconds

pair_style      meam/spline
pair_coeff      * * Si_1.meam.spline Si
Reading meam/spline potential file Si_1.meam.spline with DATE: 2012-02-01
mass            * 28.085

velocity        all create 500.0 44226611

fix             1 all nvt temp 500.0 500.0 1.0

thermo          50
run             500
Neighbor list info ...
  update: every = 1 steps, delay = 0 steps, check = yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.5
  ghost atom cutoff = 6.5
  binsize = 3.25, bins = 7 7 7
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair meam/spline, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (2) pair meam/spline, perpetual, half/full from (1)
      attributes: half, newton on
      pair build: halffull/newton
      stencil: none
      bin: none
Per MPI rank memory allocation (min/avg/max) = 3.866 | 3.866 | 3.866 Mbytes
   Step          Temp          E_pair         E_mol          TotEng         Press     
         0   500           -1847.729       0             -1815.4786      1813162.7    
        50   1923.4262     -1940.0936      0             -1816.0311     -38700.835    
       100   2535.2542     -1982.6249      0             -1819.0989      10216.821    
       150   2592.8247     -1992.1569      0             -1824.9176      4839.3385    
       200   2484.7391     -1990.8452      0             -1830.5775      14040.141    
       250   2597.4401     -2003.1619      0             -1835.625       1261.5199    
       300   2513.0793     -2002.942       0             -1840.8463      6690.9815    
       350   2390.933      -2001.0761      0             -1846.859      -4880.1146    
       400   2269.0782     -1999.3441      0             -1852.9867     -4921.4391    
       450   2287.5096     -2006.8236      0             -1859.2774     -7313.6151    
       500   2303.0918     -2014.0693      0             -1865.518      -9995.1789    
Loop time of 0.845261 on 4 procs for 500 steps with 500 atoms

Performance: 51.108 ns/day, 0.470 hours/ns, 591.533 timesteps/s, 295.767 katom-step/s
99.6% CPU use with 4 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.82311    | 0.82403    | 0.82556    |   0.1 | 97.49
Neigh   | 0.0054304  | 0.0055826  | 0.0058949  |   0.2 |  0.66
Comm    | 0.0095108  | 0.011321   | 0.012448   |   1.0 |  1.34
Output  | 0.00019703 | 0.0002108  | 0.00024574 |   0.0 |  0.02
Modify  | 0.0026442  | 0.002759   | 0.0028243  |   0.1 |  0.33
Other   |            | 0.001353   |            |       |  0.16

Nlocal:            125 ave         131 max         118 min
Histogram: 1 0 0 1 0 0 0 0 1 1
Nghost:         979.25 ave         986 max         975 min
Histogram: 1 1 0 1 0 0 0 0 0 1
Neighs:        4541.75 ave        4712 max        4362 min
Histogram: 1 1 0 0 0 0 0 0 0 2
FullNghs:       9083.5 ave        9485 max        8601 min
Histogram: 1 0 0 1 0 0 0 0 1 1

Total # of neighbors = 36334
Ave neighs/atom = 72.668
Neighbor list builds = 14
Dangerous builds = 0

Total wall time: 0:00:00
